N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide

C17H19N3O3 — CID 126806118

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide
SMILESC[C@H](C(N)=O)N(C)C(=O)c1ccccc1OCc1cccnc1
InChIInChI=1S/C17H19N3O3/c1-12(16(18)21)20(2)17(22)14-7-3-4-8-15(14)23-11-13-6-5-9-19-10-13/h3-10,12H,11H2,1-2H3,(H2,18,21)/t12-/m1/s1
InChIKeyIDDHEOSFCIYKSW-GFCCVEGCSA-N
MW313.36 g/mol
LogP1.61
Rot. Bonds6

About N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide (PubChem CID 126806118) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide
PubChem CID126806118
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide
SMILESC[C@H](C(N)=O)N(C)C(=O)c1ccccc1OCc1cccnc1
InChIInChI=1S/C17H19N3O3/c1-12(16(18)21)20(2)17(22)14-7-3-4-8-15(14)23-11-13-6-5-9-19-10-13/h3-10,12H,11H2,1-2H3,(H2,18,21)/t12-/m1/s1
InChIKeyIDDHEOSFCIYKSW-GFCCVEGCSA-N
XLogP1.61
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
(NE)-N-[1-[2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24711436
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105119933
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770635
1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105128590
[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 43145276
2-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 43563443
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
1-(2-propoxyphenyl)-2-pyridin-3-ylethanone
CID 113438197
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide (CID 126806118) is N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide is C[C@H](C(N)=O)N(C)C(=O)c1ccccc1OCc1cccnc1.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is IDDHEOSFCIYKSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(16(18)21)20(2)17(22)14-7-3-4-8-15(14)23-11-13-6-5-9-19-10-13/h3-10,12H,11H2,1-2H3,(H2,18,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 126806118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).